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A comparative study for structural and electronic properties of single-crystal ScN

A comparative study by FP-LAPW calculations based on DFT within LDA, PBE-GGA, EVex-PWco-GGA, and EVex-GGA-LDAco schemes is introduced for the structural and electronic properties of ScN in RS, ZB, WZ, and CsCl phases. According to all approximations used in this work, the RS phase is the stable grou...

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Bibliographic Details
Main Authors: Mohammad, R., Katircioglu, S.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2011
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120006
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